N,N-bis(4-ethylphenyl)fluoranthen-2-amine

C32H27N — CID 139765595

IUPACN,N-bis(4-ethylphenyl)fluoranthen-2-amine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1
InChIInChI=1S/C32H27N/c1-3-22-12-16-25(17-13-22)33(26-18-14-23(4-2)15-19-26)27-20-24-8-7-11-30-28-9-5-6-10-29(28)31(21-27)32(24)30/h5-21H,3-4H2,1-2H3
InChIKeyCEWSUNPTBPMHJR-UHFFFAOYSA-N
MW425.58 g/mol
LogP9.08
Rot. Bonds5

About N,N-bis(4-ethylphenyl)fluoranthen-2-amine

N,N-bis(4-ethylphenyl)fluoranthen-2-amine (PubChem CID 139765595) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is N,N-bis(4-ethylphenyl)fluoranthen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-ethylphenyl)fluoranthen-2-amine
PubChem CID139765595
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC NameN,N-bis(4-ethylphenyl)fluoranthen-2-amine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1
InChIInChI=1S/C32H27N/c1-3-22-12-16-25(17-13-22)33(26-18-14-23(4-2)15-19-26)27-20-24-8-7-11-30-28-9-5-6-10-29(28)31(21-27)32(24)30/h5-21H,3-4H2,1-2H3
InChIKeyCEWSUNPTBPMHJR-UHFFFAOYSA-N
XLogP9.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(4-ethylphenyl)fluoranthen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
2-ethylbenzo[b]phenalen-7-one
CID 163449460
N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 158524889
3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine
CID 70144205
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine
CID 169277528
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
9-N,23-N-bis(4-ethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361877
4-N,4-N,11-N,11-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900445
fluoranthene
CID 139203734

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-ethylphenyl)fluoranthen-2-amine?
The IUPAC name of N,N-bis(4-ethylphenyl)fluoranthen-2-amine (CID 139765595) is N,N-bis(4-ethylphenyl)fluoranthen-2-amine.
What is the SMILES notation for N,N-bis(4-ethylphenyl)fluoranthen-2-amine?
The canonical SMILES for N,N-bis(4-ethylphenyl)fluoranthen-2-amine is CCc1ccc(N(c2ccc(CC)cc2)c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1.
What is the InChIKey of N,N-bis(4-ethylphenyl)fluoranthen-2-amine?
The InChIKey is CEWSUNPTBPMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-3-22-12-16-25(17-13-22)33(26-18-14-23(4-2)15-19-26)27-20-24-8-7-11-30-28-9-5-6-10-29(28)31(21-27)32(24)30/h5-21H,3-4H2,1-2H3.
What are the key properties of N,N-bis(4-ethylphenyl)fluoranthen-2-amine?
N,N-bis(4-ethylphenyl)fluoranthen-2-amine has a molecular weight of 425.58 g/mol, XLogP of 9.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-ethylphenyl)fluoranthen-2-amine is sourced from PubChem (CID 139765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).